1-[(4-chlorophenyl)methoxycarbonylamino]-3-(4-methoxyphenyl)sulfonyl-4,7-dihydro-2H-1,3-diazepine-2-carboxylic acid

Systemtic Name: 1-[(4-chlorophenyl)methoxycarbonylamino]-3-(4-methoxyphenyl)sulfonyl-4,7-dihydro-2H-1,3-diazepine-2-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)methoxycarbonylamino]-3-(4-methoxyphenyl)sulfonyl-4,7-dihydro-2H-1,3-diazepine-2-carboxylic acid CAS Name: 1-[[(4-chlorophenyl)methoxy-oxomethyl]amino]-3-(4-methoxyphenyl)sulfonyl-4,7-dihydro-2H-1,3-diazepine-2-carboxylic acid IUPAC Name: 1-[(4-chlorophenyl)methoxycarbonylamino]-3-(4-methoxyphenyl)sulfonyl-4,7-dihydro-2H-1,3-diazepine-2-carboxylic acid Traditional Name: 1-[(4-chlorobenzyl)oxycarbonylamino]-3-(4-methoxyphenyl)sulfonyl-4,7-dihydro-2H-1,3-diazepine-2-carboxylic acid Formula: C21H22ClN3O7S MolecularWeight: 495.93328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCN(C2C(=O)O)NC(=O)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCN(C2C(=O)O)NC(=O)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O7S/c1-31-17-8-10-18(11-9-17)33(29,30)25-13-3-2-12-24(19(25)20(26)27)23-21(28)32-14-15-4-6-16(22)7-5-15/h2-11,19H,12-14H2,1H3,(H,23,28)(H,26,27)